N-(3-imidazol-1-ylpropyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-oxo-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-keto-3-phenyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4C=CN=C4)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4C=CN=C4)NC2=S

InChI

InChI=1S/C21H19N5O2S/c27-19(23-9-4-11-25-12-10-22-14-25)15-7-8-17-18(13-15)24-21(29)26(20(17)28)16-5-2-1-3-6-16/h1-3,5-8,10,12-14H,4,9,11H2,(H,23,27)(H,24,29)